N-methyl-1-(7-methyl-1-benzofuran-2-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine

• ChemBase ID: 385100
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: c1(oc2c(c1)cccc2C)C(=O)N1CC(N(CCc2ncccc2)C)CCC1
• Canonical SMILES: CN(C1CCCN(C1)C(=O)c1cc2c(o1)c(C)ccc2)CCc1ccccn1
• InChI: InChI=1S/C23H27N3O2/c1-17-7-5-8-18-15-21(28-22(17)18)23(27)26-13-6-10-20(16-26)25(2)14-11-19-9-3-4-12-24-19/h3-5,7-9,12,15,20H,6,10-11,13-14,16H2,1-2H3
• InChIKey: UMRXGFVWTURPPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-1-(7-methyl-1-benzofuran-2-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• IUPAC Traditional name: N-methyl-1-(7-methyl-1-benzofuran-2-carbonyl)-N-[2-(pyridin-2-yl)ethyl]piperidin-3-amine
• Synonyms: N-methyl-1-[(7-methyl-1-benzofuran-2-yl)carbonyl]-N-[2-(2-pyridinyl)ethyl]-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27154505
• LogD (pH = 7.4): 2.0252123
• Log P: 3.1732786
• Molar Refractivity: 110.5528 cm^3
• Polarizability: 43.47643 Å^3
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.77
• LOG S: -2.16
• Polar Surface Area: 49.58 Å^2
• Rotatable Bonds: 5